SCHEMBL24288241

SCHEMBL24288241

Cc1ccc(-c2cnc(NCC3CCCN(C(C)C)C3)nc2C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 6/20 0.39
▸ GHSR Q92847 10/20 0.37
▸ KCNH2 Q12809 9/20 0.37
▸ HCRTR1 O43613 2/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ HCRTR2 O43614 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL30838055 0.89 PRKCQ (0.40) PRKCQGHSRKCNH2CYP2D6
SCHEMBL24288237 0.89 PRKCQ (0.48) PRKCQHCRTR1HRH4HCRTR2
Hydrochloric Acid SCHEMBL30838083 0.77 PRKCQ (0.49) PRKCQHRH4
SCHEMBL24288100 0.77 PRKCQ (0.47) PRKCQHRH4
SCHEMBL24288090 0.77 HRH4 (0.45) PRKCQHRH4
Hydrochloric Acid SCHEMBL30838015 0.76 HRH4 (0.45) PRKCQHRH4
Formic Acid SCHEMBL30838073 0.74 PRKCQ (0.41) PRKCQHRH4
Hydrochloric Acid SCHEMBL30838058 0.73 CCNK (0.44) GHSRKCNH2
SCHEMBL27095173 0.72 PRKCQ (0.50) PRKCQHRH4
Hydrochloric Acid SCHEMBL30838056 0.72 PRKCQ (0.49) PRKCQHRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 — — WO disclosed
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